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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM100875'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM100875
PNG
(US8507477, 17)
Show SMILES Fc1ccc(cc1)C1N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)CCNC1=O |r|
Show InChI InChI=1S/C29H24FN5O2/c30-22-5-3-18(4-6-22)25-27(36)32-8-9-35(25)16-17-10-19-11-20-13-29(14-21(20)12-24(19)33-15-17)23-2-1-7-31-26(23)34-28(29)37/h1-7,10-12,15,25H,8-9,13-14,16H2,(H,32,36)(H,31,34,37)/t25?,29-/m0/s1
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Similars

US Patent
57n/an/an/an/an/an/an/an/a



Merck, Sharp & Dohme, Corp.

US Patent


Assay Description
Receptor binding assay.


US Patent US8507477 (2013)


BindingDB Entry DOI: 10.7270/Q20000Q1
More data for this
Ligand-Target Pair